3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine

C15H27N3 — CID 63965599

IUPAC3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)C(C)(C)CC
InChIInChI=1S/C15H27N3/c1-6-10-16-14-13(9-8-11-17-14)12-18(5)15(3,4)7-2/h8-9,11H,6-7,10,12H2,1-5H3,(H,16,17)
InChIKeyBIPRBYAUXNNHKC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds7

About 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine

3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 63965599) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID63965599
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)C(C)(C)CC
InChIInChI=1S/C15H27N3/c1-6-10-16-14-13(9-8-11-17-14)12-18(5)15(3,4)7-2/h8-9,11H,6-7,10,12H2,1-5H3,(H,16,17)
InChIKeyBIPRBYAUXNNHKC-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[2-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 62472100
2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62471942
3-[[1-cyclopropylethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472252
3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62471186
N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63961871
3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
CID 62464664
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469637
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine (CID 63965599) is 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN(C)C(C)(C)CC.
What is the InChIKey of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is BIPRBYAUXNNHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-10-16-14-13(9-8-11-17-14)12-18(5)15(3,4)7-2/h8-9,11H,6-7,10,12H2,1-5H3,(H,16,17).
What are the key properties of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine?
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63965599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).